Rotation matrices for real spherical harmonics. Direct determination by recursion

被引：91

作者：

Ivanic, J ^{[1
]}

Ruedenberg, K ^{[1
]}

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 15期

关键词：

D O I：

10.1021/jp953350u

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A recurrence procedure is derived for constructing the rotation matrices between real spherical harmonics directly in terms of the elements of the original 3x3 rotation matrix without the intermediary of any parameters. The procedure furnishes a simple, efficient, and general method for the formal as well as numerical evaluation of these representation matrices.

引用

页码：6342 / 6347

页数：6

共 13 条

[1]

BETHE HA, 1933, HDB PHYSIK, V24, pCH3

[2]

CONDON EU, 1951, THEORY ATOMIC SPECTR, P176

[3]

Gaunt J A., 1929, Phil. Trans. R. Soc. A, V228, P151, DOI [DOI 10.1098/RSTA.1929.0004, 10.1098/rsta.1929.0004]

[4]

GAUNT JA, 1929, T R SOC A, V228, P195

[5]

GOLDSTEIN H, 1980, CLASSICAL MECHANICS, P153

[6]

HAMMERMESH M, 1962, GROUP THEORY ITS APP, P333

[7] REORIENTATIONAL CORRELATION FUNCTIONS, QUATERNIONS AND WIGNER ROTATION MATRICES [J].

Lynden-Bell, R. M. ;

Stone, A. J. .

MOLECULAR SIMULATION, 1989, 3 (5-6) :271-281

[8]

SHERMAN RP, 1986, J MOL STRUCT THEOCHE, V132, P127

[9]

STONE AJ, COMMUNICATION

[10]

WEISSBLUTH M, 1978, ATOMS MOL, P11

← 1 2 →